2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide

C20H18N4O6 — CID 71833687

IUPAC2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
SMILESCOc1ccc(C=NOCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H18N4O6/c1-29-14-8-6-13(7-9-14)10-21-30-12-18(26)23-22-17(25)11-24-19(27)15-4-2-3-5-16(15)20(24)28/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQTECYGOECHVYRP-UHFFFAOYSA-N
MW410.39 g/mol
LogP0.49
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide

2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide (PubChem CID 71833687) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
PubChem CID71833687
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
SMILESCOc1ccc(C=NOCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H18N4O6/c1-29-14-8-6-13(7-9-14)10-21-30-12-18(26)23-22-17(25)11-24-19(27)15-4-2-3-5-16(15)20(24)28/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQTECYGOECHVYRP-UHFFFAOYSA-N
XLogP0.49
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[(4-methoxyphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705410
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7644504
1-(3-chlorophenyl)-3-[[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]amino]thiourea
CID 9480036
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 4312042
[2-(2-acetylanilino)-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925856
ethyl N-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]carbamate
CID 594911
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylideneamino]oxyethanone
CID 2848645

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide (CID 71833687) is 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide is COc1ccc(C=NOCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide?
The InChIKey is QTECYGOECHVYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-29-14-8-6-13(7-9-14)10-21-30-12-18(26)23-22-17(25)11-24-19(27)15-4-2-3-5-16(15)20(24)28/h2-10H,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide?
2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide has a molecular weight of 410.39 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide is sourced from PubChem (CID 71833687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).